4-[[2-butyl-5-[[(2-phenylmethoxycarbonylphenyl)amino]methyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[[(2-phenylmethoxycarbonylphenyl)amino]methyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[(2-benzyloxycarbonylanilino)methyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[(2-phenylmethoxycarbonylanilino)methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(2-phenylmethoxycarbonylanilino)methyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(2-carbobenzoxyanilino)methyl]imidazol-1-yl]methyl]benzoic acid Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CNC3=CC=CC=C3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CNC3=CC=CC=C3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O4/c1-2-3-13-28-32-19-25(33(28)20-22-14-16-24(17-15-22)29(34)35)18-31-27-12-8-7-11-26(27)30(36)37-21-23-9-5-4-6-10-23/h4-12,14-17,19,31H,2-3,13,18,20-21H2,1H3,(H,34,35)